SCHEMBL838832

SCHEMBL838832

CCOC(=O)[C@](C)(NC(=O)c1ccco1)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 6/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
AHR P35869 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4474867 0.86 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4474873 0.86 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL840738 0.84 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL28775044 0.84 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1509032 0.76 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL838834 0.75 KMT2A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL838833 0.75 KMT2A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL840334 0.71 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL840335 0.71 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL840332 0.71 ACACB (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed